potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride

C40H63KN6O7Si2 — CID 173061117

About potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride

potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride (PubChem CID 173061117) has the molecular formula C40H63KN6O7Si2 and a molecular weight of 835.25 g/mol. Its IUPAC name is potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride.

Molecular Properties

• Compound Name: potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride
• PubChem CID: 173061117
• Molecular Formula: C40H63KN6O7Si2
• Molecular Weight: 835.25 g/mol
• Exact Mass: 834.39
• IUPAC Name: potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride
• SMILES: C=C(OCC)c1c(C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)nc2c(-c3ccc(C(=O)O)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.[H-].[K+]
• InChI: InChI=1S/C40H62N6O7Si2.K.H/c1-12-52-27(2)34-35(29-21-30-14-15-31(22-29)45(30)39(49)53-40(3,4)5)43-36-32(28-13-16-33(38(47)48)41-23-28)24-42-46(36)37(34)44(25-50-17-19-54(6,7)8)26-51-18-20-55(9,10)11;;/h13,16,23-24,29-31H,2,12,14-15,17-22,25-26H2,1,3-11H3,(H,47,48);;/q;+1;-1/t29?,30-,31+
• InChIKey: KSMNIANPCREWER-IYRMSHGZSA-N
• XLogP: 5.69
• TPSA: 140.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	835.25
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride?

The IUPAC name of potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride (CID 173061117) is potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride.

What is the SMILES notation for potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride?

The canonical SMILES for potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride is C=C(OCC)c1c(C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)nc2c(-c3ccc(C(=O)O)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.[H-].[K+].

What is the InChIKey of potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride?

The InChIKey is KSMNIANPCREWER-IYRMSHGZSA-N. The full InChI is InChI=1S/C40H62N6O7Si2.K.H/c1-12-52-27(2)34-35(29-21-30-14-15-31(22-29)45(30)39(49)53-40(3,4)5)43-36-32(28-13-16-33(38(47)48)41-23-28)24-42-46(36)37(34)44(25-50-17-19-54(6,7)8)26-51-18-20-55(9,10)11;;/h13,16,23-24,29-31H,2,12,14-15,17-22,25-26H2,1,3-11H3,(H,47,48);;/q;+1;-1/t29?,30-,31+;;.

What are the key properties of potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride?

potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride has a molecular weight of 835.25 g/mol, XLogP of 5.69, 17 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-5-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylic acid;hydride is sourced from PubChem (CID 173061117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).